Chemical Properties of Urea, 1-(2-chloroethyl)-3-(3,5,7-trimethyl-1-adamantyl)- (CAS 33021-59-9)

Urea, 1-(2-chloroethyl)-3-(3,5,7-trimethyl-1-adamantyl)-

InChI
InChI=1S/C16H27ClN2O/c1-13-6-14(2)8-15(3,7-13)11-16(9-13,10-14)19-12(20)18-5-4-17/h4-11H2,1-3H3,(H2,18,19,20)
InChI Key
LFKQXXPDBWHTFZ-UHFFFAOYSA-N
Formula
C16H27ClN2O
SMILES
CC12CC3(C)CC(C)(C1)CC(NC(=O)NCCCl)(C2)C3
Molecular Weight1
298.85
CAS
33021-59-9
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Physical Properties

Property Value Unit Source
ΔfusH° 21.37 kJ/mol Joback Calculated Property
logPoct/wat 3.664 Crippen Calculated Property
McVol 237.490 ml/mol McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [302.93; 892.82] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-3.43698e+02
Coefficient B3.23926e+00
Coefficient C-3.63470e-03
Coefficient D1.63196e-06
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 302.93 J/mol×K 273.00 Calculated Property
Cp,gas 419.63 J/mol×K 353.78 Calculated Property
Cp,gas 511.49 J/mol×K 434.56 Calculated Property
Cp,gas 583.68 J/mol×K 515.33 Calculated Property
Cp,gas 641.37 J/mol×K 596.11 Calculated Property
Cp,gas 689.71 J/mol×K 676.89 Calculated Property
Cp,gas 733.86 J/mol×K 757.67 Calculated Property
Cp,gas 778.99 J/mol×K 838.44 Calculated Property
Cp,gas 830.26 J/mol×K 919.22 Calculated Property
Cp,gas 892.82 J/mol×K 1000.00 Calculated Property

Similar Compounds

Urea, 1-(2-chloroethyl)-3-(3,3,5-trimethylcyclohexyl)-. Urea, 1-(2-chloroethyl)-3-cycloheptyl-. 1-1'-(1,4-Cyclohexylene)bis[3-(2-chloroethyl) urea], trans-. Urea, 1,1'-(1,4-cyclohexylene)bis[3-(2-chloroethyl)]-, trans. Urea, 1-(2-chloroethyl)-3-tricyclo[2.2.1.0^2^,^6]hept-3-yl-. Urea, 1-(2-fluoroethyl)-3-(2-norbornanyl)-. 1,1'-(1,2-Cyclohexylene)bis[3-(2-chloroethyl)urea], trans. Urea, 1-cyclohexyl-3-hydroxyethyl-. Urea, 1-(2-chlorocyclohexyl)-3-methyl-, trans-. N-(2-chlorocyclohexyl)-n'-methylurea. Cyclohexanecarboxylic acid, 4-[3-(2-chloroethyl )-3-nitrosoureido]-, ethyl ester,trans-. Adamantylurea. Urea, p-menth-3-yl-. Urea, N-(2-methylcyclohexyl)-N'-phenyl-. Urea, 1,3-bis(2-chlorocyclohexyl)-.

Find more compounds similar to Urea, 1-(2-chloroethyl)-3-(3,5,7-trimethyl-1-adamantyl)-.

Sources

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